4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine

C8H15F3N2O — CID 66237122

IUPAC4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCN(CC1COCC1N)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-13(5-8(9,10)11)2-6-3-14-4-7(6)12/h6-7H,2-5,12H2,1H3
InChIKeyHOWQAWVBHCJDBE-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.45
Rot. Bonds3

About 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine

4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (PubChem CID 66237122) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
PubChem CID66237122
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCN(CC1COCC1N)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-13(5-8(9,10)11)2-6-3-14-4-7(6)12/h6-7H,2-5,12H2,1H3
InChIKeyHOWQAWVBHCJDBE-UHFFFAOYSA-N
XLogP0.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (CID 66237122) is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is CN(CC1COCC1N)CC(F)(F)F.
What is the InChIKey of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The InChIKey is HOWQAWVBHCJDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-13(5-8(9,10)11)2-6-3-14-4-7(6)12/h6-7H,2-5,12H2,1H3.
What are the key properties of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine has a molecular weight of 212.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66237122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).